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1-Deoxy-1-[3-(4-methoxyphenyl)-2-thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
SpectraBase Compound ID 41256LGGdX6
InChI InChI=1S/C22H28N2O10S/c1-11(25)30-10-17-18(31-12(2)26)19(32-13(3)27)20(33-14(4)28)21(34-17)24-22(35)23-15-6-8-16(29-5)9-7-15/h6-9,17-21H,10H2,1-5H3,(H2,23,24,35)/t17-,18-,19+,20-,21-/m1/s1
InChIKey PIPWBMNYUUGYPT-YMQHIKHWSA-N
Mol Weight 512.53 g/mol
Molecular Formula C22H28N2O10S
Exact Mass 512.146466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkvSBZiTmnU
Name 1-Deoxy-1-[3-(4-methoxyphenyl)-2-thioureido]-.beta.-d-glucopyranose 2,3,4,6-tetraacetate
Alternate Name(s) 2,3,4,6-Tetra-O-acetyl-N-[(4-methoxyanilino)carbothioyl]hexopyranosylamine Acetic acid [3,4,5-triacetyloxy-6-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester [3,4,5-triacetyloxy-6-[(4-methoxyphenyl)carbamothioylamino]oxan-2-yl]methyl acetate [3,4,5-triacetoxy-6-[(4-methoxyphenyl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate [3,4,5-triacetyloxy-6-[(4-methoxyphenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate Acetic acid [3,4,5-triacetoxy-6-[(4-methoxyphenyl)thiocarbamoylamino]tetrahydropyran-2-yl]methyl ester
CAS Registry Number 341497-58-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O10S
InChI InChI=1S/C22H28N2O10S/c1-11(25)30-10-17-18(31-12(2)26)19(32-13(3)27)20(33-14(4)28)21(34-17)24-22(35)23-15-6-8-16(29-5)9-7-15/h6-9,17-21H,10H2,1-5H3,(H2,23,24,35)/t17-,18-,19+,20-,21-/m1/s1
InChIKey PIPWBMNYUUGYPT-YMQHIKHWSA-N
Molecular Weight 512.530 g/mol
SMILES N([C@]1([C@@]([C@]([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(=S)Nc1ccc(cc1)OC
SPLASH splash10-0006-9400000000-86c2916423434a78a9e9
Wiley ID 1470211